SCHEMBL6094831

SCHEMBL6094831

Cc1noc(C)c1NC(=O)N1CC2CN(CCCNc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
CCR3 P51677 1/20 0.36
CCR5 P51681 1/20 0.35
NAMPT P43490 2/20 0.35
TSHR P16473 2/20 0.34
CYP1A2 P05177 2/20 0.34
SMO Q99835 1/20 0.34
CYP3A4 P08684 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5965451 0.87 MAPT (0.40) GRIN2BMAPTTP53SMN1; SMN2USP2
SCHEMBL6095303 0.85 SMN1; SMN2 (0.37) GRIN2BMAPTTP53SMN1; SMN2USP2
SCHEMBL6095515 0.84 KCNA5 (0.45) GRIN2BSMN1; SMN2USP2MAPK1HIF1A
SCHEMBL6095349 0.81 CCR3 (0.43) GRIN2BDRD2DRD3CCR3NAMPT
SCHEMBL6094371 0.79 CCR3 (0.41) GRIN2BSMN1; SMN2MAPK1DRD2DRD3
SCHEMBL6095849 0.79 GRIN2B (0.61) GRIN2BMAPTSMN1; SMN2NAMPTCYP1A2
SCHEMBL6095697 0.79 CCR3 (0.43) GRIN2BDRD2DRD3CCR3NAMPT
SCHEMBL6095044 0.78 GRIN2B (0.39) GRIN2BDRD2DRD3CCR3NAMPT
SCHEMBL6092625 0.78 MEN1 (0.39) GRIN2BDRD2DRD3CCR3CCR5
SCHEMBL6095076 0.78 HRH3 (0.41) GRIN2BDRD2DRD3CCR3NAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144914-B2 3,7-diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-05 US disclosed
EP-1360187-B1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1360187-A1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-11-12 EP disclosed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, CACNA1E GRIN2B 921/4885MAPT 4824/4885TP53 4794/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.